4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole

C18H21N3 — CID 131990097

IUPAC4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole
SMILESCC(CCC(C)c1cccc2[nH]ncc12)c1cccnc1
InChIInChI=1S/C18H21N3/c1-13(15-5-4-10-19-11-15)8-9-14(2)16-6-3-7-18-17(16)12-20-21-18/h3-7,10-14H,8-9H2,1-2H3,(H,20,21)
InChIKeyDMPYDYFUUOMIHC-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.65
Rot. Bonds5

About 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole

4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole (PubChem CID 131990097) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole.

Molecular Properties

Compound Name4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole
PubChem CID131990097
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole
SMILESCC(CCC(C)c1cccc2[nH]ncc12)c1cccnc1
InChIInChI=1S/C18H21N3/c1-13(15-5-4-10-19-11-15)8-9-14(2)16-6-3-7-18-17(16)12-20-21-18/h3-7,10-14H,8-9H2,1-2H3,(H,20,21)
InChIKeyDMPYDYFUUOMIHC-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyridin-3-ylethyl)-1H-indazol-4-amine
CID 54865736
1-(1H-indazol-4-yl)ethanethiol
CID 135200375
2-(1H-indazol-4-yl)propane-1-sulfinate
CID 91570562
3-pyridin-3-ylbutan-1-ol
CID 23506282
3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol
CID 171862199
3-pyridin-3-ylbutanal
CID 12727117
4-(2-pyridin-3-ylpropyl)-2H-phthalazin-1-one
CID 22386478
3-[(Z)-hept-4-en-2-yl]pyridine
CID 83929814
2-(8-phenyl-5-pyridin-3-ylnonan-2-yl)pyridine
CID 170738038
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine
CID 118535460
N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine
CID 60931875

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole?
The IUPAC name of 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole (CID 131990097) is 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole.
What is the SMILES notation for 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole?
The canonical SMILES for 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole is CC(CCC(C)c1cccc2[nH]ncc12)c1cccnc1.
What is the InChIKey of 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole?
The InChIKey is DMPYDYFUUOMIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(15-5-4-10-19-11-15)8-9-14(2)16-6-3-7-18-17(16)12-20-21-18/h3-7,10-14H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole?
4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole has a molecular weight of 279.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-3-ylhexan-2-yl)-1H-indazole is sourced from PubChem (CID 131990097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).